UCSF

ZINC34871300

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.50 12.93 -13.5 0 6 0 58 517.723 6
Mid Mid (pH 6-8) 4.50 12.64 -13.41 0 6 0 58 517.723 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )